CID 43559229

(4-chlorophenyl)(5-methyl-1,2,4-oxadiazol-3-yl)methanamine hydrochloride

Structural Information

Molecular Formula
C10H10ClN3O
SMILES
CC1=NC(=NO1)C(C2=CC=C(C=C2)Cl)N
InChI
InChI=1S/C10H10ClN3O/c1-6-13-10(14-15-6)9(12)7-2-4-8(11)5-3-7/h2-5,9H,12H2,1H3
InChIKey
ZSAXBGLRHFBPER-UHFFFAOYSA-N
Compound name
(4-chlorophenyl)-(5-methyl-1,2,4-oxadiazol-3-yl)methanamine
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

0
Patents

223.05124 Da
Monoisotopic Mass

1.8
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 224.05852 147.6
[M+Na]+ 246.04046 157.3
[M-H]- 222.04396 152.3
[M+NH4]+ 241.08506 164.0
[M+K]+ 262.01440 153.9
[M+H-H2O]+ 206.04850 139.9
[M+HCOO]- 268.04944 165.3
[M+CH3COO]- 282.06509 160.5
[M+Na-2H]- 244.02591 151.9
[M]+ 223.05069 149.4
[M]- 223.05179 149.4
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

No patent data available for this compound.